1-cyclooctyl-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione

C19H23NO4 — CID 110580936

IUPAC1-cyclooctyl-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(O)C(=O)N(C3CCCCCCC3)C2=O)cc1
InChIInChI=1S/C19H23NO4/c1-24-15-11-9-13(10-12-15)16-17(21)19(23)20(18(16)22)14-7-5-3-2-4-6-8-14/h9-12,14,21H,2-8H2,1H3
InChIKeyOJMFOOMYVIDANL-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.45
Rot. Bonds3

About 1-cyclooctyl-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione

1-cyclooctyl-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110580936) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-cyclooctyl-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-cyclooctyl-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110580936
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name1-cyclooctyl-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(O)C(=O)N(C3CCCCCCC3)C2=O)cc1
InChIInChI=1S/C19H23NO4/c1-24-15-11-9-13(10-12-15)16-17(21)19(23)20(18(16)22)14-7-5-3-2-4-6-8-14/h9-12,14,21H,2-8H2,1H3
InChIKeyOJMFOOMYVIDANL-UHFFFAOYSA-N
XLogP3.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-cyclododecyl-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110583180
1-cycloheptyl-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110581459
1-cyclohexyl-3-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110556472
1-cyclooctyl-3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110556549
3-[benzyl(ethyl)amino]-1-cycloheptyl-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110556513
3-(4-benzylpiperidin-1-yl)-1-cyclohexyl-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110556471
3-hydroxy-4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110580996
3-chloro-1-cyclododecyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584204
1-cyclohexyl-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110546758
1-cycloheptyl-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575359
1-cycloheptyl-3-(4-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110575363
1-cycloheptyl-3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110546785

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-cyclooctyl-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione (CID 110580936) is 1-cyclooctyl-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-cyclooctyl-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-cyclooctyl-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione is COc1ccc(C2=C(O)C(=O)N(C3CCCCCCC3)C2=O)cc1.
What is the InChIKey of 1-cyclooctyl-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is OJMFOOMYVIDANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-24-15-11-9-13(10-12-15)16-17(21)19(23)20(18(16)22)14-7-5-3-2-4-6-8-14/h9-12,14,21H,2-8H2,1H3.
What are the key properties of 1-cyclooctyl-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione?
1-cyclooctyl-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 329.40 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110580936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).